SCHEMBL587539

SCHEMBL587539

CCOC(=O)c1ccc(Cl)c(OCCn2ncnn2)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.39
BAZ2A Q9UIF9 1/20 0.39
LMNA P02545 4/20 0.39
NPC1 O15118 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
RAB9A P51151 3/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 4/20 0.38
HTT P42858 2/20 0.38
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
TEAD2 Q15562 1/20 0.37
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
MAPT P10636 1/20 0.36
NFKB1 P19838 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6481166 0.87 IKBKB (0.36) BAZ2BBAZ2ALMNANPC1SMN1; SMN2
SCHEMBL587447 0.85 POLB (0.39) POLBKMT2A
SCHEMBL587619 0.85 POLB (0.39) POLBALDH1A1KDM4EKMT2A
SCHEMBL6482410 0.83 BAZ2B (0.39) BAZ2BBAZ2ALMNANPC1SMN1; SMN2
SCHEMBL6481172 0.83 POLB (0.33) POLB
SCHEMBL587234 0.82 POLB (0.31) POLBMAPTKMT2A
SCHEMBL6608367 0.81 POLB (0.31) POLB
SCHEMBL587378 0.81 GAA (0.45) BAZ2BBAZ2ALMNANPC1SMN1; SMN2
SCHEMBL6480894 0.80 MAPT (0.36) LMNANPC1SMN1; SMN2RAB9APOLB
SCHEMBL6489710 0.79 ALDH1A1 (0.41) BAZ2BBAZ2ALMNANPC1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081925-B1 Benzoylpyrazoles, their use as herbicides, and intermediates BAYER CROPSCIENCE AG (DE) 2012-02-15 EP disclosed
US-8084398-B2 Benzoylpyrazoles and herbicide BAYER CROPSCIENCE AG (DE) 2011-12-27 US disclosed
US-8084398-B2 Benzoylpyrazoles and herbicide BAYER CROPSCIENCE AG (DE) 2011-12-27 US disclosed
US-8084398-B2 Benzoylpyrazoles and herbicide BAYER CROPSCIENCE AG (DE) 2011-12-27 US disclosed
US-20100094023-A1 BENZOYLPYRAZOLES AND HERBICIDE BAYER CROPSCIENCE AG (DE) 2010-04-15 US disclosed
US-20100094023-A1 BENZOYLPYRAZOLES AND HERBICIDE BAYER CROPSCIENCE AG (DE) 2010-04-15 US disclosed
US-20100094023-A1 BENZOYLPYRAZOLES AND HERBICIDE BAYER CROPSCIENCE AG (DE) 2010-04-15 US disclosed
EP-2081925-A1 BENZOYLPYRAZOLES, THEIR USE AS AS HERBICIDES, AND INTERMEDIATES Bayer CropScience AG (DE) 2009-07-29 EP disclosed
WO-2008043456-A1 BENZOYLPYRAZOLES, THEIR USE AS AS HERBICIDES, AND INTERMEDIATES BAYER CROPSCIENCE AG (DE) 2008-04-17 WO disclosed
US-6949550-B2 Substituted amino methyl factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-27 US disclosed
US-20050090398-A1 Novel tetrazole derivative useful as herbicides YANAGI AKIHIKO (JP) 2005-04-28 US disclosed
EP-1476437-A1 NOVEL TETRAZOLE DERIVATIVE USEFUL AS HERBICIDES Bayer CropScience AG (DE) 2004-11-17 EP disclosed
US-20030212054-A1 Substituted amino methyl factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-11-13 US disclosed
WO-2003066607-A1 NOVEL TETRAZOLE DERIVATIVE USEFUL AS HERBICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-08-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030212054-A1 Substituted amino methyl factor Xa inhibitors F11, F10, F9 BAZ2B 257/4885BAZ2A 341/4885LMNA 1077/4885
US-20100094023-A1 BENZOYLPYRAZOLES AND HERBICIDE ATL3, AHR, HACL2 BAZ2B 382/4885BAZ2A 161/4885LMNA 4205/4885
US-20050090398-A1 Novel tetrazole derivative useful as herbicides DDT, TTI1, CYP1A1 BAZ2B 3289/4885BAZ2A 3502/4885LMNA 4295/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.